SCHEMBL30744989

SCHEMBL30744989

COC(=O)c1cc(OC(F)F)ccc1C#N

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
CYP3A4 P08684 1/20 0.45
LMNA P02545 3/20 0.45
TSHR P16473 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
HTT P42858 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALOX15 P16050 1/20 0.40
GFER P55789 1/20 0.40
ADAM17 P78536 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL27145832 0.85 ACACB (0.47) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL4316682 0.84 CYP1A2 (0.56) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL23716298 0.79 CYP1A2 (0.45) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL29938041 0.78 MAPT (0.48) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL1110936 0.78 HPGD (0.53) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL2325264 0.78 MAPT (0.48) CYP1A2CYP2D6CYP2C9CYP2C19LMNA
SCHEMBL1813466 0.77 MAPT (0.47) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL13343583 0.77 ALDH1A1 (0.55) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL30744983 0.77 MAPT (0.47) HPGDCYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL5846153 0.76 GAA (0.51) HPGDCYP1A2CYP2D6CYP2C9CYP2C19

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111295382-B Bridged bicyclic compounds as farnesyl ester X receptor modulators 百时美施贵宝公司 2024-02-02 CN disclosed